SCHEMBL6707580

SCHEMBL6707580

CCOC(=O)CC[C@](C)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PPID Q08752 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRB P23467 1/20 0.42
ACP1 P24666 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1398932 0.87 HTT (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL2777679 0.87 HTT (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL1398933 0.87 HTT (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL28086104 0.83 ITGB3 (0.51) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL6705791 0.83 MEN1 (0.44) CTSSMEN1KMT2ANPC1RAB9A
SCHEMBL3584842 0.83 CTSS (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL2963801 0.83 CTSS (0.52) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL5970504 0.83 CTSS (0.57) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL1150932 0.83 CTSS (0.57) CTSSMEN1KMT2AITGB3ITGA2B
SCHEMBL1150931 0.83 CTSS (0.57) CTSSMEN1KMT2AITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040030155-A1 Process for preparing active esters ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US claimed
EP-1350790-A1 PROCESS FOR PREPARING ACTIVE ESTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040030155-A1 Process for preparing active esters CES1, CYP3A4, CYP3A5 CTSS 711/4885MEN1 1633/4885KMT2A 2607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.